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Information card for entry 4128497
Preview
| Coordinates | 4128497.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Sayan052518 |
|---|---|
| Formula | C31 H31 N O5 P2 Ru |
| Calculated formula | C31 H31 N O5 P2 Ru |
| Title of publication | Mechanistic Insights into Ruthenium-Pincer-Catalyzed Amine-Assisted Homogeneous Hydrogenation of CO<sub>2</sub> to Methanol. |
| Authors of publication | Kar, Sayan; Sen, Raktim; Kothandaraman, Jotheeswari; Goeppert, Alain; Chowdhury, Ryan; Munoz, Socrates B.; Haiges, Ralf; Prakash, G. K. Surya |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 7 |
| Pages of publication | 3160 - 3170 |
| a | 8.6522 ± 0.0017 Å |
| b | 12.368 ± 0.002 Å |
| c | 16.043 ± 0.003 Å |
| α | 76.1 ± 0.003° |
| β | 83.249 ± 0.003° |
| γ | 79.846 ± 0.003° |
| Cell volume | 1635.3 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.055 |
| Residual factor for significantly intense reflections | 0.0488 |
| Weighted residual factors for significantly intense reflections | 0.1483 |
| Weighted residual factors for all reflections included in the refinement | 0.1542 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 221581 (current) | 2019-11-03 | cif/ Adding structures of 4128497 via cif-deposit CGI script. |
4128497.cif |
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Users of the data should acknowledge the original authors of the
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